539810-10-1
2-([5-[(3-CHLORO-2-METHYLANILINO)METHYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(3-CHLORO-2-METHYLPHENYL)ACETAMIDE
Name2-([5-[(3-CHLORO-2-METHYLANILINO)METHYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(3-CHLORO-2-METHYLPHENYL)ACETAMIDE
FormulaC25 H23 Cl2 N5 O S
1Identification
【Name】
2-([5-[(3-CHLORO-2-METHYLANILINO)METHYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(3-CHLORO-2-METHYLPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD03460842
【English Synonyms】
【Formula】
C25 H23 Cl2 N5 O S
【MolWeight】
512.463
【Inchi】
InChI=1S/C25H23Cl2N5OS/c1-16-19(26)10-6-12-21(16)28-14-23-30-31-25(32(23)18-8-4-3-5-9-18)34-15-24(33)29-22-13-7-11-20(27)17(22)2/h3-13,28H,14-15H2,1-2H3,(H,29,33)
【InChIKey】
InChIKey=GPMUGFFFELSXQO-UHFFFAOYSA-N
【SMILES】
Cc1c(cccc1Cl)NCc2nnc(n2c3ccccc3)SCC(=O)Nc4cccc(c4C)Cl
【MOL File】
2-([5-[(3-CHLORO-2-M….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-([5-[(3-CHLORO-2-METHYLANILINO)METHYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(3-CHLORO-2-METHYLPHENYL)ACETAMIDE.cml